Molecule

ID:23685

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₅
Molecular Mass
320.3404
Exact Mass
320.13722175
Charge
0
InChI
InChI=1S/C16H20N2O5/c19-14(6-7-15(20)21)18-12-4-1-3-11(9-12)16(22)17-10-13-5-2-8-23-13/h1,3-4,9,13H,2,5-8,10H2,(H,17,22)(H,18,19)(H,20,21)
InChIKey
MTHOJGOAXGZCDV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC(=O)Nc1cccc(c1)C(=O)NCC1CCCO1
Isomeric Smiles
C(=O)(NCC1OCCC1)c1cc(NC(=O)CCC(=O)O)ccc1
Calculated Properties
JChem
Acid pKa
3.7228694
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.2480086
LogD (pH = 7.4)
-2.7673995
Log P
0.5287243
Molar Refractivity
84.0441
Polarizability
31.500801
Polar Surface Area
104.73
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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